T634-0817 Screening compound: 4-(3-methoxybenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0817 Screening compound: 4-(3-methoxybenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0817 Screening compound: 4-(3-methoxybenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0817
4-(3-methoxybenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T634-0817

Molecular Formula

C27H28N2O3 (C27 H28 N2 O3)

Compound Name

4-(3-methoxybenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(3-methoxybenzoyl)-7-[(1234-tetrahydroisoquinolin-2-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

COc1cccc(C(N2Cc(cc(CN(CC3)Cc4c3cccc4)cc3)c3OCC2)=O)c1

InChI

InChI=1S/C27H28N2O3/c1-31-25-8-4-7-22(16-25)27(30)29-13-14-32-26-10-9-20(15-24(26)19-29)17-28-12-11-21-5-2-3-6-23(21)18-28/h2-10,15-16H,11-14,17-19H2,1H3

InChI Key

ZVMHWDDBQDQUSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.27

Polar Surface Area

35.769

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

T634-0817 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0817?
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What is the minimum amount of T634-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0817
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T634-0817 available by request